cyclobutane;ethane;methane

C55H160 — CID 161109968

IUPACcyclobutane;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/6C4H8.6C2H6.19CH4/c6*1-2-4-3-1;6*1-2;;;;;;;;;;;;;;;;;;;/h6*1-4H2;6*1-2H3;19*1H4
InChIKeyUJOGHAMXFMVWDB-UHFFFAOYSA-N
MW821.89 g/mol
LogP27.61
Rot. Bonds

About cyclobutane;ethane;methane

cyclobutane;ethane;methane (PubChem CID 161109968) has the molecular formula C55H160 and a molecular weight of 821.89 g/mol. Its IUPAC name is cyclobutane;ethane;methane.

Molecular Properties

Compound Namecyclobutane;ethane;methane
PubChem CID161109968
Molecular FormulaC55H160
Molecular Weight821.89 g/mol
Exact Mass821.25
IUPAC Namecyclobutane;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/6C4H8.6C2H6.19CH4/c6*1-2-4-3-1;6*1-2;;;;;;;;;;;;;;;;;;;/h6*1-4H2;6*1-2H3;19*1H4
InChIKeyUJOGHAMXFMVWDB-UHFFFAOYSA-N
XLogP27.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.89
LogP ≤ 527.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexane;cyclopentane;ethane;methane
CID 161306107
cyclobutane;ethane;methane
CID 159400168
cyclopropane;ethane
CID 144519947
cyclopropane;ethane
CID 160958790
cyclobutane;ethane
CID 91611118
cyclobutane;cyclohexane;ethane
CID 159889841
cyclopropane;ethane
CID 143364855
cyclopropane;ethane
CID 158116673
cyclopropane;ethane
CID 158590246
cyclopropane;ethane
CID 167628168
cyclobutane;ethane;hydroiodide
CID 144521095
cyclobutane;methane
CID 158205110

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;methane?
The IUPAC name of cyclobutane;ethane;methane (CID 161109968) is cyclobutane;ethane;methane.
What is the SMILES notation for cyclobutane;ethane;methane?
The canonical SMILES for cyclobutane;ethane;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.
What is the InChIKey of cyclobutane;ethane;methane?
The InChIKey is UJOGHAMXFMVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H8.6C2H6.19CH4/c6*1-2-4-3-1;6*1-2;;;;;;;;;;;;;;;;;;;/h6*1-4H2;6*1-2H3;19*1H4.
What are the key properties of cyclobutane;ethane;methane?
cyclobutane;ethane;methane has a molecular weight of 821.89 g/mol, XLogP of 27.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;methane is sourced from PubChem (CID 161109968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).